N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide

C23H24ClN5O4 — CID 169195094

IUPACN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide
SMILESN#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCO[C@H](C=O)C4)nn3)CC2)cc1Cl
InChIInChI=1S/C23H24ClN5O4/c24-20-11-18(4-1-15(20)12-25)33-17-5-2-16(3-6-17)26-23(31)21-7-8-22(28-27-21)29-9-10-32-19(13-29)14-30/h1,4,7-8,11,14,16-17,19H,2-3,5-6,9-10,13H2,(H,26,31)/t16?,17?,19-/m0/s1
InChIKeyIRFBGJJCKOZNMO-TVPLGVNVSA-N
MW469.93 g/mol
LogP2.53
Rot. Bonds6

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide (PubChem CID 169195094) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide
PubChem CID169195094
Molecular FormulaC23H24ClN5O4
Molecular Weight469.93 g/mol
Exact Mass469.15
IUPAC NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide
SMILESN#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCO[C@H](C=O)C4)nn3)CC2)cc1Cl
InChIInChI=1S/C23H24ClN5O4/c24-20-11-18(4-1-15(20)12-25)33-17-5-2-16(3-6-17)26-23(31)21-7-8-22(28-27-21)29-9-10-32-19(13-29)14-30/h1,4,7-8,11,14,16-17,19H,2-3,5-6,9-10,13H2,(H,26,31)/t16?,17?,19-/m0/s1
InChIKeyIRFBGJJCKOZNMO-TVPLGVNVSA-N
XLogP2.53
TPSA117.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide (CID 169195094) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCO[C@H](C=O)C4)nn3)CC2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide?
The InChIKey is IRFBGJJCKOZNMO-TVPLGVNVSA-N. The full InChI is InChI=1S/C23H24ClN5O4/c24-20-11-18(4-1-15(20)12-25)33-17-5-2-16(3-6-17)26-23(31)21-7-8-22(28-27-21)29-9-10-32-19(13-29)14-30/h1,4,7-8,11,14,16-17,19H,2-3,5-6,9-10,13H2,(H,26,31)/t16?,17?,19-/m0/s1.
What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide?
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 169195094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).